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CHEBI:158009 - His-Trp-Arg

ChEBI IDCHEBI:158009
ChEBI NameHis-Trp-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N9O4
Net Charge0
Average Mass497.560
Monoisotopic Mass497.24990
SMILESNC(N)=NCCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C23H31N9O4/c24-16(9-14-11-27-12-30-14)20(33)32-19(8-13-10-29-17-5-2-1-4-15(13)17)21(34)31-18(22(35)36)6-3-7-28-23(25)26/h1-2,4-5,10-12,16,18-19,29H,3,6-9,24H2,(H,27,30)(H,31,34)(H,32,33)(H,35,36)(H4,25,26,28)/t16-,18-,19-/m0/s1
InChIKeyFWWJVUFXUQOEDM-WDSOQIARSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
His-Trp-Arg (CHEBI:158009) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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